| CAS Number | 1133116-15-0 |
| Catalog Number | AG003M34(AGN-PC-07XUAL) |
| Chemical Name | 5-(1-Chloro-2-methylpropan-2-yl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloro-2-methylpropan-2-yl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C12H12ClN3O3/c1-12(2,7-13)11-14-10(15-19-11)8-3-5-9(6-4-8)16(17)18/h3-6H,7H2,1-2H3 |
| InChI Key | CGFOQTRAAJTHAV-UHFFFAOYSA-N |
| MDL Number | MFCD11855934 |
| Molecular Formula | C12H12ClN3O3 |
| Molecular Weight | 281.6950 |
| SMILES | O=[N+](C1=CC=C(C2=NOC(C(C)(C)CCl)=N2)C=C1)[O-] |
| Synonyms | 5-(1-CHLORO-2-METHYLPROPAN-2-YL)-3-(4-NITROPHENYL)-1,2,4-OXADIAZOLE,
1133116-15-0,
ACMC-2099j3,
CTK4A8242,
DTXSID70674979,
ANW-16621,
MFCD11855934,
ZINC38537415,
AKOS015850584,
RTR-002576,
AJ-96115,
CJ-19460,
AX8231100,
ST2405987,
TR-002576,
Z7458,
A-5010,
I14-25314,
C12H12ClN3O3,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.696g/mol |
| Monoisotopic Mass | 281.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number